1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C14H15F11N2O2 — CID 58855435

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCN(CCN1CCOCC1)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H15F11N2O2/c1-26(2-3-27-4-6-29-7-5-27)8(28)9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h2-7H2,1H3
InChIKeyKASOKTGGDVNJOW-UHFFFAOYSA-N
MW452.26 g/mol
LogP2.68
Rot. Bonds4

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 58855435) has the molecular formula C14H15F11N2O2 and a molecular weight of 452.26 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID58855435
Molecular FormulaC14H15F11N2O2
Molecular Weight452.26 g/mol
Exact Mass452.10
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCN(CCN1CCOCC1)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H15F11N2O2/c1-26(2-3-27-4-6-29-7-5-27)8(28)9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h2-7H2,1H3
InChIKeyKASOKTGGDVNJOW-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3290804
N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide
CID 18684107
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855372
2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide
CID 58855374
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855382
2,2,3,3,4,4,5,5,7,7,8,8,9,9,9-pentadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide
CID 58855388
4,4,5,5,6,6-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)hexanamide
CID 58855398
2,2,3,3,4,4,5,5,7,7-decafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855408
2,2,3,3,4,4,5,5,7,7,8,8,9,9-tetradecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)nonanamide
CID 58855509
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)decanamide
CID 58855517
(4-Fluorocyclohexyl)-morpholin-4-ylmethanone
CID 70855888
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 87731675

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 58855435) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is CN(CCN1CCOCC1)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is KASOKTGGDVNJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F11N2O2/c1-26(2-3-27-4-6-29-7-5-27)8(28)9(15)10(16,17)12(20,21)14(24,25)13(22,23)11(9,18)19/h2-7H2,1H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 452.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58855435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).